{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/inversion-based-latent-bayesian-optimization","title":"Inversion-based Latent Bayesian Optimization","arxiv_id":"2411.05330","date":"2024-11-08","proceeding":null,"authors":["Jaewon Chu","Jinyoung Park","Seunghun Lee","Hyunwoo J. Kim"],"abstract":"Latent Bayesian optimization (LBO) approaches have successfully adopted Bayesian optimization over a continuous latent space by employing an encoder-decoder architecture to address the challenge of optimization in a high dimensional or discrete input space. LBO learns a surrogate model to approximate the black-box objective function in the latent space. However, we observed that most LBO methods suffer from the `misalignment problem`, which is induced by the reconstruction error of the encoder-decoder architecture. It hinders learning an accurate surrogate model and generating high-quality solutions. In addition, several trust region-based LBO methods select the anchor, the center of the trust region, based solely on the objective function value without considering the trust region`s potential to enhance the optimization process. To address these issues, we propose Inversion-based Latent Bayesian Optimization (InvBO), a plug-and-play module for LBO. InvBO consists of two components: an inversion method and a potential-aware trust region anchor selection. The inversion method searches the latent code that completely reconstructs the given target data. The potential-aware trust region anchor selection considers the potential capability of the trust region for better local optimization. Experimental results demonstrate the effectiveness of InvBO on nine real-world benchmarks, such as molecule design and arithmetic expression fitting tasks. Code is available at https://github.com/mlvlab/InvBO.","url_abs":"https://arxiv.org/abs/2411.05330v1","url_pdf":"https://arxiv.org/pdf/2411.05330v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"inversion-based-latent-bayesian-optimization","repo_url":"https://github.com/mlvlab/invbo","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"pytorch","reach":{"status":"ok","spdx":"MIT"}}],"tasks":[{"task_slug":"bayesian-optimization","task_name":"Bayesian Optimization"},{"task_slug":"decoder","task_name":"Decoder"}],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":"https://app.syntology.ai/?focus=2411.05330","mcp":{"get_harvested_code_for_paper":{"arxiv_id":"2411.05330"}},"developers":"https://syntology.ai/developers","read_at":"2026-09-24T18:15:14+00:00","read_at_is":"when the build read Syntology's graph, not when any sample ran","claim":"Per-sample execution status on synthesized fixtures; not a correctness claim about the paper. Samples come from repositories linked to the paper, official or community; repo_kind says which.","repos":[{"provenance":"deterministic:regex_extraction","url":"https://github.com/mlvlab/InvBO","reach":{"status":"ok","spdx":"MIT"}},{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/mlvlab/invbo","reach":{"status":"ok","spdx":"MIT"}}],"summary":{"unverified":9},"by_repo_kind":{"official":{"samples":9,"ran":0,"repositories":1}},"repo_kind_vocabulary":{"official":"The archive marks this repository official for the paper","named_in_paper":"The archive records that the paper mentions this repository; it is not marked official","listed":"In the archive's code links for this paper, not marked official and not recorded as mentioned in the paper","found_in_text":"Syntology found this repository in the paper's own text; whether it is the authors' implementation is not asserted","community":"Not in the archive's code links for this paper; a community repository Syntology harvested"},"n_pointer_only_for_licence":0,"samples":[{"code_sha256_prefix":"56ff38263af0c676","entry":"LatentSpaceObjective","repo":"mlvlab/invbo","repo_kind":"official","path":"invbo/latent_space_objective.py","file_url":"https://github.com/mlvlab/invbo/blob/HEAD/invbo/latent_space_objective.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"56ff38263af0c676"}},{"code_sha256_prefix":"01631f8f50a4bb6a","entry":"TS","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/bo_utils/turbo.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/bo_utils/turbo.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"01631f8f50a4bb6a"}},{"code_sha256_prefix":"27be588cbcdb4733","entry":"generate_batch","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/bo_utils/turbo.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/bo_utils/turbo.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"27be588cbcdb4733"}},{"code_sha256_prefix":"98cfe3d3a797ae62","entry":"lipschitz_loss","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/utils.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/utils.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"98cfe3d3a797ae62"}},{"code_sha256_prefix":"70bc126cfa970aa5","entry":"load_molecule_train_data","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/mol_utils/load_data.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/mol_utils/load_data.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"70bc126cfa970aa5"}},{"code_sha256_prefix":"e00ccb61913dc9fb","entry":"load_train_z","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/mol_utils/load_data.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/mol_utils/load_data.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"e00ccb61913dc9fb"}},{"code_sha256_prefix":"0935ed12b60eb28d","entry":"update_models_end_to_end","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/utils.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/utils.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"0935ed12b60eb28d"}},{"code_sha256_prefix":"ba51f9dac22959af","entry":"update_state","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/bo_utils/turbo.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/bo_utils/turbo.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"ba51f9dac22959af"}},{"code_sha256_prefix":"0dda692b10a19709","entry":"update_surr_model","repo":"mlvlab/InvBO","repo_kind":"official","path":"invbo/utils/utils.py","file_url":"https://github.com/mlvlab/InvBO/blob/HEAD/invbo/utils/utils.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"0dda692b10a19709"}}]},"arxiv_metadata":null,"syntology_extracted_results":null}